ethyl 5-ethyl-2-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-[4-[(E)-cinnamyl]piperazin-1-yl]quinoxalin-2-yl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinoxalin-2-yl]amino]thiophene-3-carboxylate Traditional Name: 2-[[3-[4-[(E)-cinnamyl]piperazino]quinoxalin-2-yl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H33N5O2S MolecularWeight: 527.68032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC=CC5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)C/C=C/C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C30H33N5O2S/c1-3-23-21-24(30(36)37-4-2)29(38-23)33-27-28(32-26-15-9-8-14-25(26)31-27)35-19-17-34(18-20-35)16-10-13-22-11-6-5-7-12-22/h5-15,21H,3-4,16-20H2,1-2H3,(H,31,33)/b13-10+